REMARK  Name = BDB039578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.238  -0.195  -1.133  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.120   0.586  -0.567  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.099   0.545  -1.521  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.532  -0.809  -1.950  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.652  -1.526  -2.487  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.881  -1.562  -1.544  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.901   0.577   0.690  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.129  -0.387   1.246  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        3.922  -0.657   0.676  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        3.143  -1.718   1.392  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.455   0.003  -0.475  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        4.288   1.003  -1.004  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.520   1.299  -0.428  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.614   1.251   1.042  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.280   1.120   0.510  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.186   0.875  -0.467  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.217   0.841   1.359  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.334   0.794   2.579  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.166  -1.572  -0.863  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.511  -1.009  -0.447  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.521  -0.806  -1.397  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.761  -0.298  -1.007  0.00  0.00    +0.052 A 
ATOM     23  N   LIG    1       -5.749  -0.100  -2.000  0.00  0.00    -0.320 N 
ATOM     24  H   LIG    1       -5.549  -0.321  -2.965  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -7.022   0.397  -1.764  0.00  0.00    +0.277 A 
ATOM     26  C   LIG    1       -7.306   0.720  -0.368  0.00  0.00    +0.154 A 
ATOM     27  C   LIG    1       -6.358   0.537   0.631  0.00  0.00    +0.083 A 
ATOM     28  N   LIG    1       -6.990   0.946   1.778  0.00  0.00    -0.333 N 
ATOM     29  C   LIG    1       -6.485   0.978   3.126  0.00  0.00    +0.150 C 
ATOM     30  C   LIG    1       -8.256   1.346   1.432  0.00  0.00    +0.200 A 
ATOM     31  N   LIG    1       -8.478   1.222   0.144  0.00  0.00    -0.230 NA
ATOM     32  O   LIG    1       -7.818   0.537  -2.690  0.00  0.00    -0.266 OA
ATOM     33  C   LIG    1       -5.024   0.013   0.349  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1       -4.018  -0.198   1.292  0.00  0.00    +0.012 A 
ATOM     35  C   LIG    1       -2.773  -0.706   0.897  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4